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Concept information

Preferred term

napyradiomycin cnq525.538  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C26H32BrClO5

inchi

  • InChI=1S/C26H32BrClO5/c1-14(2)8-7-9-15(3)10-11-26-22(31)17-12-18(29)16(4)21(30)20(17)23(32)25(26,28)13-19(27)24(5,6)33-26/h8,10,12,19,29-30H,7,9,11,13H2,1-6H3/b15-10+/t19-,25+,26+/m1/s1

inchikey

  • VQGNJNAIEBZJEK-XHCSNWKWSA-N

mass

  • 539.890

monoisotopicmass

  • 538.11217

smiles

  • Br[C@H]1C(O[C@]2(C(=O)C=3C=C(O)C(=C(C3C([C@]2(C1)Cl)=O)O)C)C/C=C(/CCC=C(C)C)/C)(C)C

subset

  • 2_STAR

synonym EXACT

  • (3R,4aR,10aS)-3-bromo-4a-chloro-10a-[(2E)-3,7-dimethylocta-2,6-dienyl]-6,8-dihydroxy-2,2,7-trimethyl-3,4-dihydrobenzo[g]chromene-5,10-dione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:222880

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